#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:20:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179719 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/21/7002166.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7002166
loop_
_publ_author_name
'Fernández, Eduardo J.'
'Laguna, Antonio'
'López-de-Luzuriaga, José M.'
'Monge, Miguel'
'Montiel, Manuel'
'Olmos, M. Elena'
'Rodríguez-Castillo, María'
_publ_section_title
;
 Unsupported Au(i)⋯Cu(i) interactions: influence of nitrile
 ligands and aurophilicity on the structure and luminescence
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              7509
_journal_page_last               7518
_journal_paper_doi               10.1039/b900768g
_journal_year                    2009
_chemical_formula_moiety         'C52 H20 Au2 Cu2 F20 N4'
_chemical_formula_sum            'C52 H20 Au2 Cu2 F20 N4'
_chemical_formula_weight         1601.73
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-10-24T09:58:01-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                101.795(6)
_cell_angle_beta                 98.641(7)
_cell_angle_gamma                119.560(6)
_cell_formula_units_Z            2
_cell_length_a                   13.4230(10)
_cell_length_b                   13.4590(10)
_cell_length_c                   16.492(2)
_cell_measurement_reflns_used    10763
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.73
_cell_measurement_theta_min      5.1
_cell_volume                     2424.1(5)
_computing_cell_refinement
'HKL and Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Nonius Kappa CCD'
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor, 1997'
_computing_molecular_graphics    'ORTEP III for Windows'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'ω and φ-scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39910
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    7.019
_exptl_absorpt_correction_T_max  0.4863
_exptl_absorpt_correction_T_min  0.3647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   scalepack
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'prismatic block'
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.312
_refine_diff_density_min         -2.447
_refine_diff_density_rms         0.221
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         10180
_refine_ls_number_restraints     288
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0253P)²+54.6735P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1292
_reflns_number_gt                8815
_reflns_number_total             10180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b900768g.txt
_cod_data_source_block           mm77
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2424.13(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002166
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.08757(3) 0.30586(3) 0.15697(2) 0.02071(10) Uani 1 1 d . . .
Au2 Au 0.16707(3) 0.45296(3) 0.34404(2) 0.02312(10) Uani 1 1 d . . .
Cu1 Cu 0.03559(10) 0.14646(11) 0.01014(8) 0.0267(3) Uani 1 1 d . . .
Cu2 Cu 0.12791(12) 0.51610(10) 0.49040(8) 0.0287(3) Uani 1 1 d . . .
C1 C 0.0531(6) 0.4288(7) 0.1271(5) 0.0204(16) Uani 1 1 d DU . .
C2 C 0.1397(7) 0.5474(7) 0.1409(4) 0.0210(17) Uani 1 1 d DU . .
C3 C 0.1157(8) 0.6314(8) 0.1261(5) 0.0235(17) Uani 1 1 d DU . .
C4 C -0.0022(7) 0.5977(7) 0.0960(6) 0.0232(17) Uani 1 1 d DU . .
C5 C -0.0921(8) 0.4791(8) 0.0807(6) 0.0229(17) Uani 1 1 d DU . .
C6 C -0.0638(7) 0.3981(7) 0.0956(5) 0.0203(16) Uani 1 1 d DU . .
F1 F 0.2573(5) 0.5884(5) 0.1716(4) 0.0341(13) Uani 1 1 d DU . .
F2 F 0.2042(5) 0.7463(5) 0.1389(4) 0.0333(13) Uani 1 1 d DU . .
F3 F -0.0286(6) 0.6782(5) 0.0825(4) 0.0348(13) Uani 1 1 d DU . .
F4 F -0.2079(5) 0.4447(6) 0.0497(4) 0.0351(13) Uani 1 1 d DU . .
F5 F -0.1571(5) 0.2839(5) 0.0790(4) 0.0328(13) Uani 1 1 d DU . .
C11 C 0.1092(7) 0.1716(7) 0.1803(5) 0.0208(16) Uani 1 1 d DU . .
C12 C 0.0203(7) 0.0749(7) 0.1982(4) 0.0230(17) Uani 1 1 d DU . .
C13 C 0.0355(8) -0.0101(7) 0.2224(5) 0.0256(18) Uani 1 1 d DU . .
C14 C 0.1418(7) -0.0009(8) 0.2295(6) 0.0279(18) Uani 1 1 d DU . .
C15 C 0.2327(8) 0.0911(9) 0.2126(6) 0.0273(18) Uani 1 1 d DU . .
C16 C 0.2156(7) 0.1754(8) 0.1887(6) 0.0221(17) Uani 1 1 d DU . .
F6 F -0.0880(5) 0.0615(5) 0.1917(4) 0.0303(12) Uani 1 1 d DU . .
F7 F -0.0555(5) -0.1016(5) 0.2393(4) 0.0344(13) Uani 1 1 d DU . .
F8 F 0.1567(6) -0.0846(6) 0.2540(4) 0.0383(14) Uani 1 1 d DU . .
F9 F 0.3386(5) 0.1002(6) 0.2184(4) 0.0371(14) Uani 1 1 d DU . .
F10 F 0.3092(5) 0.2651(5) 0.1729(4) 0.0321(13) Uani 1 1 d DU . .
C21 C 0.0139(8) 0.4592(7) 0.3222(5) 0.0234(17) Uani 1 1 d DU . .
C22 C 0.0144(8) 0.5596(7) 0.3144(5) 0.0252(18) Uani 1 1 d DU . .
C23 C -0.0905(9) 0.5567(8) 0.2865(5) 0.0297(19) Uani 1 1 d DU . .
C24 C -0.1994(9) 0.4515(7) 0.2660(6) 0.0307(19) Uani 1 1 d DU . .
C25 C -0.2040(8) 0.3503(8) 0.2732(6) 0.0291(19) Uani 1 1 d DU . .
C26 C -0.0979(8) 0.3552(8) 0.3012(6) 0.0261(18) Uani 1 1 d DU . .
F11 F 0.1183(5) 0.6667(5) 0.3338(4) 0.0333(13) Uani 1 1 d DU . .
F12 F -0.0864(6) 0.6562(5) 0.2779(4) 0.0428(16) Uani 1 1 d DU . .
F13 F -0.3025(6) 0.4461(6) 0.2377(4) 0.0434(16) Uani 1 1 d DU . .
F14 F -0.3110(5) 0.2445(5) 0.2531(4) 0.0369(14) Uani 1 1 d DU . .
F15 F -0.1090(6) 0.2512(5) 0.3043(4) 0.0336(13) Uani 1 1 d DU . .
C31 C 0.3148(8) 0.4405(7) 0.3704(5) 0.0245(18) Uani 1 1 d DU . .
C32 C 0.3055(8) 0.3427(8) 0.3913(5) 0.0271(18) Uani 1 1 d DU . .
C33 C 0.3989(9) 0.3250(8) 0.4044(5) 0.0296(19) Uani 1 1 d DU . .
C34 C 0.5064(8) 0.4065(8) 0.3960(6) 0.0310(19) Uani 1 1 d DU . .
C35 C 0.5213(8) 0.5068(8) 0.3764(7) 0.032(2) Uani 1 1 d DU . .
C36 C 0.4256(8) 0.5208(8) 0.3641(6) 0.0268(18) Uani 1 1 d DU . .
F16 F 0.2009(5) 0.2582(5) 0.4000(4) 0.0361(14) Uani 1 1 d DU . .
F17 F 0.3845(6) 0.2266(6) 0.4241(4) 0.0442(16) Uani 1 1 d DU . .
F18 F 0.5985(6) 0.3902(7) 0.4068(5) 0.0475(17) Uani 1 1 d DU . .
F19 F 0.6271(6) 0.5882(6) 0.3685(5) 0.0500(17) Uani 1 1 d DU . .
F20 F 0.4440(6) 0.6208(5) 0.3446(4) 0.0397(15) Uani 1 1 d DU . .
N1 N 0.1677(7) 0.2119(7) -0.0322(5) 0.0258(16) Uani 1 1 d U . .
C41 C 0.3376(8) 0.3258(8) -0.0964(6) 0.0247(18) Uani 1 1 d DU . .
C42 C 0.3799(8) 0.4461(9) -0.0900(6) 0.033(2) Uani 1 1 d DU . .
H42 H 0.3436 0.4846 -0.0646 0.04 Uiso 1 1 calc R . .
C43 C 0.4753(9) 0.5086(9) -0.1212(7) 0.035(2) Uani 1 1 d DU . .
H43 H 0.5038 0.5898 -0.118 0.042 Uiso 1 1 calc R . .
C44 C 0.5293(10) 0.4525(9) -0.1570(7) 0.034(2) Uani 1 1 d DU . .
H44 H 0.5962 0.4963 -0.1767 0.041 Uiso 1 1 calc R . .
C45 C 0.4861(10) 0.3328(9) -0.1643(8) 0.038(2) Uani 1 1 d DU . .
H45 H 0.5219 0.2943 -0.1904 0.045 Uiso 1 1 calc R . .
C46 C 0.3911(9) 0.2696(9) -0.1336(7) 0.034(2) Uani 1 1 d DU . .
H46 H 0.3623 0.188 -0.1378 0.04 Uiso 1 1 calc R . .
C47 C 0.2434(8) 0.2627(9) -0.0608(6) 0.0253(18) Uani 1 1 d U . .
N2 N -0.1284(7) 0.0486(7) -0.0038(5) 0.0266(17) Uani 1 1 d U . .
C51 C -0.3383(8) -0.0439(7) 0.0188(5) 0.0243(18) Uani 1 1 d DU . .
C52 C -0.4376(8) -0.1466(8) -0.0436(6) 0.0285(19) Uani 1 1 d DU . .
H52 H -0.4299 -0.1829 -0.0961 0.034 Uiso 1 1 calc R . .
C53 C -0.5479(9) -0.1951(10) -0.0278(7) 0.037(2) Uani 1 1 d DU . .
H53 H -0.6166 -0.265 -0.07 0.045 Uiso 1 1 calc R . .
C54 C -0.5585(9) -0.1427(9) 0.0486(6) 0.037(2) Uani 1 1 d DU . .
H54 H -0.6345 -0.1773 0.0591 0.044 Uiso 1 1 calc R . .
C55 C -0.4600(9) -0.0405(9) 0.1102(7) 0.034(2) Uani 1 1 d DU . .
H55 H -0.4684 -0.0048 0.1626 0.041 Uiso 1 1 calc R . .
C56 C -0.3486(9) 0.0104(9) 0.0957(7) 0.030(2) Uani 1 1 d DU . .
H56 H -0.2805 0.0811 0.1376 0.037 Uiso 1 1 calc R . .
C57 C -0.2223(8) 0.0066(8) 0.0049(6) 0.0226(17) Uani 1 1 d U . .
N3 N 0.0471(8) 0.3620(7) 0.5011(5) 0.0277(17) Uani 1 1 d U . .
C61 C -0.0673(8) 0.1328(8) 0.4791(5) 0.0252(18) Uani 1 1 d DU . .
C62 C -0.1224(8) 0.0529(8) 0.3950(6) 0.0283(19) Uani 1 1 d DU . .
H62 H -0.1166 0.0816 0.3468 0.034 Uiso 1 1 calc R . .
C63 C -0.1866(9) -0.0706(9) 0.3829(7) 0.033(2) Uani 1 1 d DU . .
H63 H -0.2258 -0.1275 0.326 0.039 Uiso 1 1 calc R . .
C64 C -0.1928(9) -0.1095(9) 0.4542(6) 0.031(2) Uani 1 1 d DU . .
H64 H -0.2371 -0.1938 0.4454 0.037 Uiso 1 1 calc R . .
C65 C -0.1369(9) -0.0302(8) 0.5377(6) 0.029(2) Uani 1 1 d DU . .
H65 H -0.1417 -0.0595 0.5856 0.035 Uiso 1 1 calc R . .
C66 C -0.0729(9) 0.0943(8) 0.5512(6) 0.0278(19) Uani 1 1 d DU . .
H66 H -0.0343 0.1508 0.6081 0.033 Uiso 1 1 calc R . .
C67 C -0.0033(9) 0.2601(9) 0.4920(6) 0.0256(19) Uani 1 1 d U . .
N4 N 0.2261(7) 0.6854(7) 0.5314(5) 0.0267(17) Uani 1 1 d U . .
C71 C 0.3931(8) 0.9106(8) 0.5841(5) 0.0249(18) Uani 1 1 d DU . .
C72 C 0.4960(9) 0.9515(9) 0.6497(6) 0.032(2) Uani 1 1 d DU . .
H72 H 0.5037 0.8971 0.6746 0.039 Uiso 1 1 calc R . .
C73 C 0.5869(9) 1.0729(9) 0.6783(7) 0.040(2) Uani 1 1 d DU . .
H73 H 0.6578 1.1018 0.7228 0.048 Uiso 1 1 calc R . .
C74 C 0.5743(9) 1.1523(10) 0.6419(7) 0.038(2) Uani 1 1 d DU . .
H74 H 0.6361 1.2356 0.6621 0.046 Uiso 1 1 calc R . .
C75 C 0.4719(9) 1.1100(8) 0.5762(7) 0.032(2) Uani 1 1 d DU . .
H75 H 0.4643 1.1643 0.551 0.039 Uiso 1 1 calc R . .
C76 C 0.3807(8) 0.9894(8) 0.5468(6) 0.0265(19) Uani 1 1 d DU . .
H76 H 0.3104 0.9605 0.5018 0.032 Uiso 1 1 calc R . .
C77 C 0.3004(9) 0.7854(8) 0.5542(6) 0.0251(18) Uani 1 1 d U . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 C11 175.5(3) . . ?
C1 Au1 Cu1 107.0(2) . . ?
C11 Au1 Cu1 70.0(2) . . ?
C1 Au1 Au2 87.3(2) . . ?
C11 Au1 Au2 95.8(2) . . ?
Cu1 Au1 Au2 165.68(3) . . ?
C31 Au2 C21 176.5(3) . . ?
C31 Au2 Cu2 108.3(2) . . ?
C21 Au2 Cu2 69.4(2) . . ?
C31 Au2 Au1 92.0(2) . . ?
C21 Au2 Au1 89.3(2) . . ?
Cu2 Au2 Au1 153.02(3) . . ?
N1 Cu1 N2 152.9(4) . . ?
N1 Cu1 Au1 107.2(2) . . ?
N2 Cu1 Au1 96.5(2) . . ?
N3 Cu2 N4 155.3(3) . . ?
N3 Cu2 Au2 96.5(2) . . ?
N4 Cu2 Au2 104.8(2) . . ?
C2 C1 C6 114.6(8) . . ?
C2 C1 Au1 124.4(6) . . ?
C6 C1 Au1 120.9(6) . . ?
F1 C2 C3 115.7(7) . . ?
F1 C2 C1 120.1(7) . . ?
C3 C2 C1 124.2(8) . . ?
F2 C3 C2 121.8(8) . . ?
F2 C3 C4 118.6(7) . . ?
C2 C3 C4 119.5(8) . . ?
F3 C4 C5 120.7(7) . . ?
F3 C4 C3 121.0(7) . . ?
C5 C4 C3 118.3(8) . . ?
F4 C5 C6 121.1(8) . . ?
F4 C5 C4 118.7(7) . . ?
C6 C5 C4 120.1(8) . . ?
F5 C6 C5 116.4(7) . . ?
F5 C6 C1 120.3(7) . . ?
C5 C6 C1 123.3(8) . . ?
C16 C11 C12 114.1(8) . . ?
C16 C11 Au1 123.9(6) . . ?
C12 C11 Au1 121.6(6) . . ?
F6 C12 C13 117.2(8) . . ?
F6 C12 C11 119.3(7) . . ?
C13 C12 C11 123.5(8) . . ?
C14 C13 F7 120.6(8) . . ?
C14 C13 C12 119.4(8) . . ?
F7 C13 C12 119.9(8) . . ?
C13 C14 C15 120.3(9) . . ?
C13 C14 F8 119.3(7) . . ?
C15 C14 F8 120.4(7) . . ?
F9 C15 C14 120.8(8) . . ?
F9 C15 C16 119.9(8) . . ?
C14 C15 C16 119.2(8) . . ?
F10 C16 C15 116.7(7) . . ?
F10 C16 C11 119.9(7) . . ?
C15 C16 C11 123.5(8) . . ?
C22 C21 C26 115.5(9) . . ?
C22 C21 Au2 123.4(6) . . ?
C26 C21 Au2 120.4(6) . . ?
F11 C22 C21 121.0(8) . . ?
F11 C22 C23 116.4(7) . . ?
C21 C22 C23 122.6(8) . . ?
F12 C23 C24 119.2(8) . . ?
F12 C23 C22 120.9(8) . . ?
C24 C23 C22 119.8(8) . . ?
F13 C24 C25 119.6(8) . . ?
F13 C24 C23 120.9(8) . . ?
C25 C24 C23 119.5(10) . . ?
F14 C25 C24 120.7(8) . . ?
F14 C25 C26 119.6(8) . . ?
C24 C25 C26 119.7(8) . . ?
F15 C26 C21 120.5(8) . . ?
F15 C26 C25 116.5(8) . . ?
C21 C26 C25 122.9(8) . . ?
C36 C31 C32 114.8(9) . . ?
C36 C31 Au2 124.8(6) . . ?
C32 C31 Au2 120.3(6) . . ?
F16 C32 C31 120.0(8) . . ?
F16 C32 C33 116.8(8) . . ?
C31 C32 C33 123.2(8) . . ?
F17 C33 C34 119.6(8) . . ?
F17 C33 C32 120.8(8) . . ?
C34 C33 C32 119.6(8) . . ?
F18 C34 C33 120.8(8) . . ?
F18 C34 C35 119.5(8) . . ?
C33 C34 C35 119.7(9) . . ?
F19 C35 C34 120.2(9) . . ?
F19 C35 C36 121.1(8) . . ?
C34 C35 C36 118.7(8) . . ?
F20 C36 C31 119.1(8) . . ?
F20 C36 C35 116.8(8) . . ?
C31 C36 C35 124.0(8) . . ?
C47 N1 Cu1 170.0(8) . . ?
C46 C41 C42 120.2(9) . . ?
C46 C41 C47 120.0(8) . . ?
C42 C41 C47 119.7(8) . . ?
C43 C42 C41 119.3(9) . . ?
C42 C43 C44 120.1(9) . . ?
C45 C44 C43 120.4(9) . . ?
C46 C45 C44 120.1(9) . . ?
C45 C46 C41 119.8(9) . . ?
N1 C47 C41 179.9(11) . . ?
C57 N2 Cu1 164.9(8) . . ?
C52 C51 C56 121.1(9) . . ?
C52 C51 C57 120.0(8) . . ?
C56 C51 C57 119.0(8) . . ?
C53 C52 C51 118.8(9) . . ?
C54 C53 C52 120.4(9) . . ?
C53 C54 C55 120.6(10) . . ?
C54 C55 C56 120.1(9) . . ?
C55 C56 C51 118.9(9) . . ?
N2 C57 C51 178.1(10) . . ?
C67 N3 Cu2 167.3(8) . . ?
C62 C61 C66 122.4(9) . . ?
C62 C61 C67 118.8(8) . . ?
C66 C61 C67 118.8(8) . . ?
C61 C62 C63 118.5(8) . . ?
C64 C63 C62 119.4(9) . . ?
C65 C64 C63 122.1(9) . . ?
C64 C65 C66 119.3(8) . . ?
C61 C66 C65 118.2(8) . . ?
N3 C67 C61 178.9(11) . . ?
C77 N4 Cu2 168.7(8) . . ?
C72 C71 C76 121.0(9) . . ?
C72 C71 C77 118.9(8) . . ?
C76 C71 C77 120.1(8) . . ?
C73 C72 C71 119.2(9) . . ?
C72 C73 C74 120.0(9) . . ?
C75 C74 C73 120.1(10) . . ?
C76 C75 C74 120.5(9) . . ?
C75 C76 C71 119.2(9) . . ?
N4 C77 C71 179.1(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.052(9) . ?
Au1 C11 2.066(9) . ?
Au1 Cu1 2.6163(12) . ?
Au1 Au2 3.0011(5) . ?
Au2 C31 2.062(10) . ?
Au2 C21 2.079(9) . ?
Au2 Cu2 2.6092(12) . ?
Cu1 N1 1.869(8) . ?
Cu1 N2 1.870(8) . ?
Cu2 N3 1.870(8) . ?
Cu2 N4 1.877(8) . ?
C1 C2 1.376(10) . ?
C1 C6 1.389(10) . ?
C2 F1 1.356(9) . ?
C2 C3 1.374(11) . ?
C3 F2 1.352(9) . ?
C3 C4 1.385(11) . ?
C4 F3 1.343(10) . ?
C4 C5 1.382(11) . ?
C5 F4 1.359(9) . ?
C5 C6 1.373(11) . ?
C6 F5 1.354(9) . ?
C11 C16 1.387(10) . ?
C11 C12 1.392(10) . ?
C12 F6 1.358(9) . ?
C12 C13 1.379(11) . ?
C13 C14 1.353(11) . ?
C13 F7 1.359(10) . ?
C14 C15 1.361(11) . ?
C14 F8 1.362(11) . ?
C15 F9 1.352(10) . ?
C15 C16 1.382(11) . ?
C16 F10 1.355(9) . ?
C21 C22 1.380(10) . ?
C21 C26 1.380(11) . ?
C22 F11 1.349(10) . ?
C22 C23 1.394(12) . ?
C23 F12 1.350(10) . ?
C23 C24 1.368(12) . ?
C24 F13 1.353(12) . ?
C24 C25 1.363(11) . ?
C25 F14 1.358(10) . ?
C25 C26 1.393(12) . ?
C26 F15 1.346(9) . ?
C31 C36 1.378(11) . ?
C31 C32 1.379(11) . ?
C32 F16 1.356(10) . ?
C32 C33 1.382(12) . ?
C33 F17 1.356(10) . ?
C33 C34 1.365(12) . ?
C34 F18 1.353(12) . ?
C34 C35 1.377(11) . ?
C35 F19 1.346(10) . ?
C35 C36 1.379(12) . ?
C36 F20 1.360(10) . ?
N1 C47 1.146(12) . ?
C41 C46 1.395(11) . ?
C41 C42 1.400(11) . ?
C41 C47 1.425(13) . ?
C42 C43 1.387(12) . ?
C43 C44 1.390(12) . ?
C44 C45 1.387(12) . ?
C45 C46 1.380(12) . ?
N2 C57 1.146(12) . ?
C51 C52 1.391(11) . ?
C51 C56 1.391(11) . ?
C51 C57 1.436(13) . ?
C52 C53 1.385(12) . ?
C53 C54 1.378(12) . ?
C54 C55 1.379(12) . ?
C55 C56 1.388(12) . ?
N3 C67 1.155(12) . ?
C61 C62 1.387(11) . ?
C61 C66 1.389(11) . ?
C61 C67 1.436(13) . ?
C62 C63 1.395(12) . ?
C63 C64 1.379(12) . ?
C64 C65 1.378(11) . ?
C65 C66 1.401(11) . ?
N4 C77 1.142(12) . ?
C71 C72 1.392(11) . ?
C71 C76 1.393(11) . ?
C71 C77 1.428(13) . ?
C72 C73 1.388(13) . ?
C73 C74 1.394(13) . ?
C74 C75 1.384(12) . ?
C75 C76 1.381(12) . ?
